SCHEMBL5265100

SCHEMBL5265100

CC(F)(F)c1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(OC[C@@H](O)CO)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.47
MEN1 O00255 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOD2 Q9HC29 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5264557 1.00 P2RY12 (0.47) P2RY12MEN1CNR2ALDH1A1LMNA
SCHEMBL5268162 0.93 P2RY12 (0.49) P2RY12MEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5270277 0.93 P2RY12 (0.49) P2RY12MEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5268191 0.88 P2RY12 (0.63) P2RY12MEN1
SCHEMBL5265212 0.87 P2RY12 (0.52) P2RY12MEN1
SCHEMBL5262781 0.87 P2RY12 (0.52) P2RY12MEN1
SCHEMBL5267805 0.85 P2RY12 (0.49) P2RY12MEN1CNR2TSHRHTT
SCHEMBL4895006 0.83 P2RY12 (0.53) P2RY12
SCHEMBL4896996 0.83 P2RY12 (0.53) P2RY12
SCHEMBL5268538 0.76 P2RY12 (0.67) P2RY12MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed